N-(2-methoxyphenyl)-2-[[5-(phenylsulfonylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-methoxyphenyl)-2-[[5-(phenylsulfonylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(benzenesulfonylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide CAS Name: 2-[[5-(benzenesulfonylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(2-methoxyphenyl)acetamide IUPAC Name: 2-[[5-(benzenesulfonylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide Traditional Name: 2-[[4-allyl-5-(besylmethyl)-1,2,4-triazol-3-yl]thio]-N-(2-methoxyphenyl)acetamide Formula: C21H22N4O4S2 MolecularWeight: 458.55378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC=C)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC=C)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O4S2/c1-3-13-25-19(15-31(27,28)16-9-5-4-6-10-16)23-24-21(25)30-14-20(26)22-17-11-7-8-12-18(17)29-2/h3-12H,1,13-15H2,2H3,(H,22,26)